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Phenylalanine

Phenylalanine

SCHEMBL10428796

C[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Phenylalanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.45
▸ ALPI P09923 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ SLC1A3 P43003 1/20 0.38
▸ SLC1A2 P43004 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 3/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ DNPEP Q9ULA0 1/20 0.36
▸ SLC15A1 P46059 1/20 0.36
▸ GRIA2 P42262 1/20 0.35
▸ TPH1 P17752 1/20 0.35
▸ LTA4H P09960 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dl-Phenylalanine SCHEMBL10428795 1.00 SLC7A5 (0.45) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL8904329 0.89 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28912532 0.89 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Tyrosine SCHEMBL4947371 0.88 SLC7A5 (0.44) SLC7A5ALPIPKMPTGS1XIAP
Histidine SCHEMBL10428650 0.86 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1ANPEP
Histidine SCHEMBL10428649 0.86 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1ANPEP
Dl-Phenylalanine SCHEMBL26918992 0.86 SLC7A5 (0.55) SLC7A5ALPIPKMPTGS1XIAP
Histidine SCHEMBL20678156 0.86 SLC7A5 (0.39) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL638657 0.84 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL1007041 0.84 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368920-A1 LECTINES FIXING BETA-D-GALACTOSIDE. IDEON CORP (US) 1990-05-23 — — EP claimed
WO-1989000581-A1 LECTINES FIXING BETA-D-GALACTOSIDE IDEON CORPORATION (US) 1989-01-26 — — WO claimed
EP-0368920-A1 LECTINES FIXING BETA-D-GALACTOSIDE. IDEON CORP (US) 1990-05-23 — — EP disclosed
WO-1989000581-A1 LECTINES FIXING BETA-D-GALACTOSIDE IDEON CORPORATION (US) 1989-01-26 — — WO disclosed